Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InchI Key
YIYBQIKDCADOSF-ARJAWSKDSA-N
SMILES
CC/C=C\C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C\C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.3118 -0.5712 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3889 0.4071 0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0521 0.4521 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0363 0.1292 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3654 0.1565 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5573 0.4977 -1.2618 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4838 -0.1872 0.6689 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2457 -0.4251 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3493 -0.3077 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1398 -1.6024 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9051 1.3866 0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3208 0.0405 1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0296 0.7543 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9420 -0.1762 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2992 -0.5540 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers